data_1yat_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 1yat _Structure_validation_residue.Date_analyzed 2016-10-12 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 ecloud orig full ' A' A ' -5' ' ' SER . . . . . 0.453 ' CB ' ' O ' ' A' ' 236' ' ' HOH . 14.1 p . . . . . 0 C--O 1.254 1.302 0 CA-C-O 123.65 1.69 . . . . 30.690000000000001 113.407 . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -4' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -88.27 140.78 29.13 Favored 'General case' 0 C--O 1.252 1.21 0 CA-C-N 111.556 -2.565 . . . . 31.98 112.755 177.056 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -3' ' ' VAL . . . . . . . . . . . . . 24.0 t -109.64 103.81 16.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 105.22 -2.141 . . . . 23.170000000000002 105.22 -178.67 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' -2' ' ' ILE . . . . . . . . . . . . 0.297 8.3 pt -93.12 -163.53 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.263 1.774 0 CA-C-N 113.219 -1.81 . . . . 20.149999999999999 111.034 -178.658 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' -1' ' ' GLU . . . . . 0.537 ' OE1' ' NZ ' ' A' ' 65' ' ' LYS . 28.8 mp0 -53.1 151.9 4.59 Favored 'General case' 0 N--CA 1.503 2.21 0 C-N-CA 116.582 -2.047 . . . . 19.940000000000001 109.392 -177.84 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 0' ' ' GLY . . . . . 0.586 ' O ' ' CB ' ' A' ' 1' ' ' ASN . . . 57.81 11.33 7.96 Favored Glycine 0 C--N 1.303 -1.286 0 CA-C-O 116.242 -2.421 . . . . 17.350000000000001 114.052 178.766 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 1' ' ' ASN . . . . . 0.586 ' CB ' ' O ' ' A' ' 0' ' ' GLY . 31.2 m-20 78.93 18.18 0.89 Allowed 'General case' 0 CA--C 1.549 0.912 0 CA-C-O 114.689 -2.577 . . . . 22.030000000000001 109.869 -178.711 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.6 t -74.27 141.59 15.9 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.299 0 N-CA-C 102.415 -3.18 . . . . 17.100000000000001 102.415 176.529 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 53.5 mttt -108.16 137.99 45.19 Favored 'General case' 0 N--CA 1.446 -0.661 0 O-C-N 125.329 1.643 . . . . 22.329999999999998 114.364 178.726 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 57.0 mt -114.91 129.82 70.42 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 N-CA-C 107.49 -1.3 . . . . 22.940000000000001 107.49 176.507 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 5' ' ' ASP . . . . . 0.431 ' OD1' ' CB ' ' A' ' -5' ' ' SER . 28.0 m-20 -118.49 108.32 14.86 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 127.695 3.122 . . . . 29.109999999999999 104.734 175.912 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 21.4 mmt180 -74.54 128.16 34.88 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 126.3 2.25 . . . . 26.719999999999999 109.098 -177.881 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.7 mt -109.16 -44.2 6.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 CA-C-O 117.241 -1.361 . . . . 25.969999999999999 112.945 -178.737 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -150.93 129.27 6.0 Favored Pre-proline 0 C--N 1.308 -1.2 0 N-CA-C 107.204 -1.406 . . . . 26.969999999999999 107.204 -179.202 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 59.6 Cg_endo -63.37 159.23 40.9 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 124.176 3.251 . . . . 25.390000000000001 118.946 -175.82 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -106.29 -161.85 22.58 Favored Glycine 0 CA--C 1.539 1.56 0 N-CA-C 103.659 -3.776 . . . . 25.309999999999999 103.659 177.339 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 11' ' ' ASP . . . . . 0.402 ' OD2' ' OG1' ' A' ' 14' ' ' THR . 42.5 p-10 -78.7 4.12 14.6 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 125.457 1.328 . . . . 28.940000000000001 107.705 -178.462 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 52.44 18.37 5.11 Favored Glycine 0 C--O 1.252 1.222 0 CA-C-O 115.269 -2.962 . . . . 27.300000000000001 111.039 -178.414 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -137.08 -36.87 0.66 Allowed 'General case' 0 C--O 1.268 2.061 0 N-CA-C 116.688 2.107 . . . . 28.620000000000001 116.688 -179.915 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 14' ' ' THR . . . . . 0.402 ' OG1' ' OD2' ' A' ' 11' ' ' ASP . 24.0 m -88.17 98.37 11.52 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 118.047 -0.978 . . . . 28.719999999999999 111.366 179.281 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -106.33 136.28 19.38 Favored Pre-proline 0 C--N 1.3 -1.583 0 C-N-CA 125.25 1.42 . . . . 25.84 111.702 -179.539 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -64.23 140.39 70.76 Favored 'Trans proline' 0 N--CA 1.482 0.801 0 O-C-N 125.051 2.079 . . . . 26.059999999999999 109.303 178.524 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.4 mmmt -116.25 159.89 21.22 Favored 'General case' 0 C--O 1.262 1.75 0 O-C-N 127.583 3.052 . . . . 26.25 107.75 179.163 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.9 m -52.22 121.29 6.6 Favored 'General case' 0 C--O 1.249 1.064 0 O-C-N 120.466 -1.396 . . . . 25.710000000000001 112.74 -177.382 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.37 -17.52 56.7 Favored Glycine 0 CA--C 1.498 -0.988 0 N-CA-C 110.044 -1.222 . . . . 21.350000000000001 110.044 177.19 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -62.55 148.06 47.16 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 108.404 -0.962 . . . . 19.530000000000001 108.404 -178.682 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 31.2 tp -86.24 134.21 33.78 Favored 'General case' 0 C--O 1.271 2.21 0 O-C-N 126.61 2.444 . . . . 14.48 104.594 176.832 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.6 m -125.8 143.45 39.28 Favored 'Isoleucine or valine' 0 C--O 1.248 0.977 0 O-C-N 127.245 2.84 . . . . 12.890000000000001 107.888 179.393 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.4 m -106.88 112.56 25.58 Favored 'General case' 0 C--N 1.314 -0.967 0 O-C-N 128.747 3.779 . . . . 14.220000000000001 107.013 175.759 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.1 mt -130.24 152.45 37.46 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 O-C-N 120.464 -1.398 . . . . 18.199999999999999 114.111 -178.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -113.7 123.07 49.0 Favored 'General case' 0 C--O 1.205 -1.253 0 O-C-N 127.035 2.709 . . . . 13.02 104.118 174.91 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 40.0 p90 -128.05 163.74 23.92 Favored 'General case' 0 C--O 1.206 -1.221 0 O-C-N 125.432 1.707 . . . . 12.869999999999999 112.543 -179.596 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.3 m -138.7 125.56 21.06 Favored 'General case' 0 C--N 1.29 -1.99 0 C-N-CA 129.1 2.96 . . . . 14.289999999999999 103.52 172.767 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -112.31 135.45 12.74 Favored Glycine 0 C--N 1.303 -1.268 0 O-C-N 126.969 2.668 . . . . 19.59 107.878 179.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 29' ' ' THR . . . . . 0.624 ' CG2' ' O ' ' A' ' 30' ' ' LEU 0.487 2.1 m -133.95 153.33 51.84 Favored 'General case' 0 C--N 1.294 -1.814 0 C-N-CA 130.512 3.525 . . . . 21.800000000000001 111.189 178.751 . . . . . . . . 3 3 . 1 . 001 ecloud orig full ' A' A ' 30' ' ' LEU . . . . . 0.624 ' O ' ' CG2' ' A' ' 29' ' ' THR . 78.8 mt -86.76 172.72 9.94 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 103.635 -2.728 . . . . 24.329999999999998 103.635 173.991 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -54.39 -25.9 27.23 Favored 'General case' 0 C--N 1.293 -1.869 0 C-N-CA 124.429 1.092 . . . . 38.229999999999997 113.182 176.842 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 32' ' ' ASN . . . . . 0.563 ' OD1' ' N ' ' A' ' 34' ' ' GLN . 32.7 p30 -81.03 -9.0 59.9 Favored 'General case' 0 C--O 1.262 1.712 0 CA-C-O 115.822 -2.037 . . . . 32.759999999999998 111.449 175.724 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.52 -10.79 59.52 Favored Glycine 0 N--CA 1.494 2.539 0 CA-C-N 122.66 2.482 . . . . 30.18 109.702 -179.971 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 34' ' ' GLN . . . . . 0.563 ' N ' ' OD1' ' A' ' 32' ' ' ASN . 28.8 tt0 -70.41 111.02 5.66 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 122.571 1.177 . . . . 33.700000000000003 111.255 178.539 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 35' ' ' LYS . . . . . 0.445 ' NZ ' ' OD2' ' A' ' 41' ' ' ASP . 48.9 tttt -69.9 128.59 36.91 Favored 'General case' 0 C--N 1.295 -1.761 0 C-N-CA 127.548 2.339 . . . . 23.32 111.388 178.757 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -118.69 -13.37 9.61 Favored 'General case' 0 C--O 1.255 1.395 0 C-N-CA 123.123 0.569 . . . . 16.260000000000002 111.982 -178.73 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -170.19 155.67 5.49 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.095 -1.628 . . . . 15.890000000000001 110.821 179.183 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.4 t -161.75 139.52 8.93 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-O 115.138 -2.363 . . . . 15.77 108.89 178.709 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 80.8 p -97.56 -8.99 27.82 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-N 123.469 2.849 . . . . 14.66 109.218 179.959 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.8 t -70.36 -37.55 71.19 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.268 0 N-CA-C 104.686 -2.338 . . . . 19.030000000000001 104.686 -178.887 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 41' ' ' ASP . . . . . 0.445 ' OD2' ' NZ ' ' A' ' 35' ' ' LYS . 83.8 m-20 -65.79 -28.73 69.23 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-N 113.618 -1.628 . . . . 21.649999999999999 110.853 175.793 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 85.1 mtm-85 -86.93 -15.41 38.99 Favored 'General case' 0 C--N 1.29 -1.979 0 C-N-CA 126.436 1.894 . . . . 19.07 108.056 179.469 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 67.13 24.09 73.21 Favored Glycine 0 N--CA 1.496 2.674 0 C-N-CA 118.742 -1.694 . . . . 17.940000000000001 110.363 -178.606 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.9 p -147.05 116.76 4.46 Favored Pre-proline 0 N--CA 1.484 1.241 0 C-N-CA 118.809 -1.157 . . . . 20.940000000000001 112.325 177.879 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -61.0 151.17 80.11 Favored 'Trans proline' 0 C--O 1.271 2.168 0 C-N-CA 122.228 1.952 . . . . 19.280000000000001 113.143 179.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -89.3 145.3 25.47 Favored 'General case' 0 C--O 1.264 1.821 0 C-N-CA 126.168 1.787 . . . . 15.800000000000001 109.793 178.885 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 16.3 mt-30 -132.32 144.22 50.42 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-O 113.551 -3.119 . . . . 22.02 106.38 178.174 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.9 p -162.1 164.69 27.9 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 127.98 3.3 . . . . 16.390000000000001 104.743 178.095 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -94.1 132.48 38.58 Favored 'General case' 0 C--O 1.265 1.894 0 N-CA-C 100.326 -3.953 . . . . 14.19 100.326 174.176 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.4 tp -87.94 148.15 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 1 O-C-N 129.744 4.403 . . . . 13.23 113.098 -177.758 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.78 36.25 93.07 Favored Glycine 0 N--CA 1.408 -3.199 1 C-N-CA 131.935 4.588 . . . . 15.75 121.531 179.891 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.6 m -130.04 12.28 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.344 0 C-N-CA 129.585 3.154 . . . . 15.470000000000001 113.295 -178.906 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 82.65 20.86 60.88 Favored Glycine 0 CA--C 1.474 -2.488 0 N-CA-C 117.986 1.954 . . . . 14.6 117.986 -179.198 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -79.88 -30.93 40.29 Favored 'General case' 0 C--O 1.249 1.064 0 CA-C-N 120.369 2.085 . . . . 14.9 110.119 176.531 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.1 m -124.98 169.65 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 CA-C-N 120.102 1.319 . . . . 14.619999999999999 110.125 -178.792 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 43.9 pt -57.03 151.54 2.99 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 N-CA-C 105.135 -2.172 . . . . 12.869999999999999 105.135 -179.389 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -56.14 -39.82 72.84 Favored 'General case' 0 C--N 1.289 -2.039 0 C-N-CA 126.321 1.848 . . . . 11.51 114.596 -175.798 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -55.35 -33.96 58.92 Favored Glycine 0 N--CA 1.483 1.778 0 O-C-N 124.705 1.253 . . . . 12.15 110.645 178.566 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 59' ' ' TRP . . . . . . . . . . . . . 3.6 m95 -72.33 -44.69 62.28 Favored 'General case' 0 N--CA 1.44 -0.946 0 O-C-N 119.427 -2.22 . . . . 12.17 106.789 177.974 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -61.19 -40.36 93.63 Favored 'General case' 0 C--O 1.274 2.345 0 O-C-N 125.946 2.029 . . . . 16.010000000000002 113.116 -179.376 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.2 m -83.19 -31.92 9.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 N-CA-C 113.649 0.981 . . . . 13.26 113.649 178.608 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.53 -58.2 5.1 Favored Glycine 0 N--CA 1.409 -3.119 0 C-N-CA 128.388 2.899 . . . . 12.949999999999999 119.869 -176.736 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 63' ' ' ILE . . . . . 0.505 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 34.1 mm -57.31 -41.58 91.63 Favored Pre-proline 0 C--N 1.306 -1.322 0 N-CA-C 117.303 2.335 . . . . 13.58 117.303 -177.201 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 64' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 27.3 Cg_exo -59.56 -15.39 30.53 Favored 'Trans proline' 0 C--O 1.272 2.218 0 C-N-CA 121.964 1.776 . . . . 18.370000000000001 109.792 -178.788 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 65' ' ' LYS . . . . . 0.537 ' NZ ' ' OE1' ' A' ' -1' ' ' GLU . 44.5 mttp -91.03 10.72 25.54 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 119.866 1.212 . . . . 21.75 114.232 179.326 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 53.6 mt -113.44 146.21 39.91 Favored 'General case' 0 C--O 1.254 1.315 0 C-N-CA 125.16 1.384 . . . . 17.129999999999999 110.85 -178.822 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.7 p -104.52 161.04 14.45 Favored 'General case' 0 C--O 1.265 1.872 0 N-CA-C 107.346 -1.353 . . . . 15.52 107.346 175.356 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 5.5 t -51.77 132.8 13.45 Favored 'Isoleucine or valine' 0 C--O 1.255 1.379 0 CA-C-N 114.041 -1.436 . . . . 15.51 109.579 -179.388 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.42 -14.3 59.92 Favored Glycine 0 CA--C 1.491 -1.46 0 O-C-N 126.184 2.178 . . . . 15.19 115.413 -179.299 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 60.8 tt0 -69.08 153.01 44.48 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 117.978 -3.072 . . . . 17.850000000000001 113.809 -177.975 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -122.84 128.49 50.46 Favored 'General case' 0 C--O 1.263 1.812 0 N-CA-C 104.388 -2.449 . . . . 28.02 104.388 174.838 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -149.3 167.47 25.98 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 118.602 -2.561 . . . . 17.969999999999999 109.729 -178.625 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.6 ttm180 -118.81 124.58 47.56 Favored 'General case' 0 C--N 1.289 -2.047 0 CA-C-N 119.771 1.169 . . . . 32.979999999999997 110.954 177.559 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.0 mt -100.16 115.9 30.91 Favored 'General case' 0 C--O 1.257 1.49 0 CA-C-O 112.489 -3.624 . . . . 13.42 109.753 -178.193 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 57.9 m -99.6 119.15 37.61 Favored 'General case' 0 C--N 1.284 -2.261 0 N-CA-C 103.56 -2.756 . . . . 12.890000000000001 103.56 174.313 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 37.0 mt -115.46 119.95 37.16 Favored Pre-proline 0 C--N 1.301 -1.518 0 C-N-CA 127.643 2.377 . . . . 14.32 115.954 -177.588 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -72.04 151.77 56.25 Favored 'Trans proline' 0 C--O 1.256 1.396 0 C-N-CA 121.885 1.723 . . . . 12.59 113.147 174.803 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -35.68 -58.99 0.89 Allowed Glycine 0 C--O 1.285 3.295 0 C-N-CA 127.446 2.45 . . . . 17.109999999999999 116.515 178.106 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_exo -51.15 -27.72 23.24 Favored 'Trans proline' 0 C--O 1.253 1.269 0 CA-C-N 121.887 2.844 . . . . 16.5 112.911 178.225 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -98.12 8.01 45.42 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 118.625 -2.547 . . . . 14.619999999999999 114.093 -179.881 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -128.36 -118.74 0.25 Allowed 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 131.344 3.858 . . . . 14.710000000000001 111.292 -177.85 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -102.16 3.25 38.26 Favored 'General case' 0 N--CA 1.495 1.78 0 CA-C-N 119.636 1.107 . . . . 17.109999999999999 112.389 -176.71 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 47.73 -147.95 3.88 Favored Glycine 0 CA--C 1.538 1.517 0 CA-C-O 122.688 1.16 . . . . 21.109999999999999 114.481 179.519 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 71.7 Cg_endo -67.15 -15.24 45.86 Favored 'Trans proline' 0 C--O 1.265 1.837 0 C-N-CA 124.374 3.383 . . . . 21.600000000000001 116.382 -176.249 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -87.67 -49.58 7.06 Favored 'General case' 0 C--O 1.255 1.35 0 CA-C-O 118.303 -0.856 . . . . 31.32 112.046 179.802 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.87 -158.18 33.11 Favored Glycine 0 C--O 1.272 2.501 0 N-CA-C 106.533 -2.627 . . . . 17.629999999999999 106.533 178.918 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -143.54 127.7 9.37 Favored Pre-proline 0 N--CA 1.493 1.698 0 O-C-N 126.426 1.897 . . . . 16.149999999999999 106.558 -178.629 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -53.02 118.86 5.24 Favored 'Trans proline' 0 C--N 1.318 -1.073 0 C-N-CA 122.929 2.419 . . . . 16.84 113.476 -174.387 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 72.13 8.94 70.95 Favored Glycine 0 CA--C 1.492 -1.387 0 CA-C-O 118.241 -1.31 . . . . 19.149999999999999 115.016 178.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.2 mt -127.22 -46.76 1.49 Allowed 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 121.299 2.55 . . . . 17.649999999999999 112.323 -179.317 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . 0.317 37.0 mt -135.48 119.18 12.94 Favored Pre-proline 0 C--O 1.261 1.679 0 CA-C-N 112.816 -1.993 . . . . 17.309999999999999 115.899 -175.313 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -73.66 162.36 39.87 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 124.381 3.388 . . . . 17.469999999999999 113.895 178.978 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -51.06 140.69 39.62 Favored 'Trans proline' 0 C--N 1.318 -1.055 0 C-N-CA 123.413 2.742 . . . . 15.65 109.268 178.395 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 55.09 36.62 27.37 Favored 'General case' 0 C--O 1.255 1.368 0 N-CA-C 117.997 2.591 . . . . 18.879999999999999 117.997 179.621 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 74.1 m -90.55 148.49 22.67 Favored 'General case' 0 C--O 1.263 1.783 0 CA-C-N 123.841 3.019 . . . . 17.02 110.446 178.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 16.6 m -92.2 129.24 38.2 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 102.998 -2.964 . . . . 14.48 102.998 170.799 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 18.2 mt -106.93 142.61 36.28 Favored 'General case' 0 C--N 1.284 -2.268 0 O-C-N 125.807 1.942 . . . . 11.890000000000001 110.502 -176.991 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 53.7 t -113.9 126.43 71.38 Favored 'Isoleucine or valine' 0 C--O 1.255 1.353 0 N-CA-C 106.971 -1.492 . . . . 16.32 106.971 176.098 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -122.58 123.11 40.45 Favored 'General case' 0 C--N 1.279 -2.459 0 CA-C-O 121.674 0.75 . . . . 15.390000000000001 109.359 -179.434 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 39.4 m-20 -93.22 115.25 27.87 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-O 112.592 -3.575 . . . . 23.359999999999999 101.367 173.371 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 3.8 m -127.99 154.72 38.93 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.569 0 CA-C-N 125.344 3.702 . . . . 13.32 110.175 -176.437 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -132.78 121.53 23.14 Favored 'General case' 0 C--N 1.282 -2.368 0 N-CA-C 107.414 -1.328 . . . . 19.43 107.414 177.713 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 47.9 tp -83.72 104.66 14.01 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 106.662 -1.607 . . . . 16.390000000000001 106.662 -179.639 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 95.6 mt -81.14 -51.43 8.46 Favored 'General case' 0 C--N 1.286 -2.183 0 C-N-CA 127.995 2.518 . . . . 18.289999999999999 108.953 -177.366 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.4 pttt -157.11 146.96 20.67 Favored 'General case' 0 N--CA 1.495 1.813 0 C-N-CA 115.395 -2.522 . . . . 21.690000000000001 114.038 179.412 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 88.1 t -106.34 147.35 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 105.487 -2.042 . . . . 26.75 105.487 -179.242 . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . 0.367 0.1 OUTLIER . . . . . 0 N--CA 1.53 3.569 0 C-N-CA 115.748 -2.381 . . . . 34.329999999999998 112.588 -179.694 . . . . . . . . 2 2 . 1 . 001 ecloud orig full ' A' A ' 108' ' ' FK5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 204' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 208' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 231' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 236' ' ' HOH . . . . . 0.453 ' O ' ' CB ' ' A' ' -5' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud orig full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud orig full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' -5' ' ' SER . . . . . 0.921 ' HB3' ' OD1' ' A' ' 5' ' ' ASP . 14.1 p . . . . . 0 C--O 1.254 1.302 0 CA-C-O 123.65 1.69 . . . . 30.690000000000001 113.407 . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -4' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -88.27 140.78 29.13 Favored 'General case' 0 C--O 1.252 1.21 0 CA-C-N 111.556 -2.565 . . . . 31.98 112.755 177.056 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -3' ' ' VAL . . . . . . . . . . . . . 24.0 t -109.64 103.81 16.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 105.22 -2.141 . . . . 23.170000000000002 105.22 -178.67 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' -2' ' ' ILE . . . . . . . . . . . . 0.297 8.3 pt -93.12 -163.53 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.263 1.774 0 CA-C-N 113.219 -1.81 . . . . 20.149999999999999 111.034 -178.658 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' -1' ' ' GLU . . . . . 0.405 ' OE1' ' NZ ' ' A' ' 65' ' ' LYS . 28.8 mp0 -53.1 151.9 4.59 Favored 'General case' 0 N--CA 1.503 2.21 0 C-N-CA 116.582 -2.047 . . . . 19.940000000000001 109.392 -177.84 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 0' ' ' GLY . . . . . 0.879 ' O ' ' HB2' ' A' ' 1' ' ' ASN . . . 57.81 11.33 7.96 Favored Glycine 0 C--N 1.303 -1.286 0 CA-C-O 116.242 -2.421 . . . . 17.350000000000001 114.052 178.766 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 1' ' ' ASN . . . . . 0.879 ' HB2' ' O ' ' A' ' 0' ' ' GLY . 31.2 m-20 78.93 18.18 0.89 Allowed 'General case' 0 CA--C 1.549 0.912 0 CA-C-O 114.689 -2.577 . . . . 22.030000000000001 109.869 -178.711 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.6 t -74.27 141.59 15.9 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.299 0 N-CA-C 102.415 -3.18 . . . . 17.100000000000001 102.415 176.529 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 53.5 mttt -108.16 137.99 45.19 Favored 'General case' 0 N--CA 1.446 -0.661 0 O-C-N 125.329 1.643 . . . . 22.329999999999998 114.364 178.726 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 57.0 mt -114.91 129.82 70.42 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 N-CA-C 107.49 -1.3 . . . . 22.940000000000001 107.49 176.507 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 5' ' ' ASP . . . . . 0.921 ' OD1' ' HB3' ' A' ' -5' ' ' SER . 28.0 m-20 -118.49 108.32 14.86 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 127.695 3.122 . . . . 29.109999999999999 104.734 175.912 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 6' ' ' ARG . . . . . 0.594 ' HB3' ' O ' ' A' ' 208' ' ' HOH . 21.4 mmt180 -74.54 128.16 34.88 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 126.3 2.25 . . . . 26.719999999999999 109.098 -177.881 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.7 mt -109.16 -44.2 6.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 CA-C-O 117.241 -1.361 . . . . 25.969999999999999 112.945 -178.737 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 8' ' ' SER . . . . . 0.401 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -150.93 129.27 6.0 Favored Pre-proline 0 C--N 1.308 -1.2 0 N-CA-C 107.204 -1.406 . . . . 26.969999999999999 107.204 -179.202 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 9' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 8' ' ' SER . 59.6 Cg_endo -63.37 159.23 40.9 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 124.176 3.251 . . . . 25.390000000000001 118.946 -175.82 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -106.29 -161.85 22.58 Favored Glycine 0 CA--C 1.539 1.56 0 N-CA-C 103.659 -3.776 . . . . 25.309999999999999 103.659 177.339 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 42.5 p-10 -78.7 4.12 14.6 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 125.457 1.328 . . . . 28.940000000000001 107.705 -178.462 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 52.44 18.37 5.11 Favored Glycine 0 C--O 1.252 1.222 0 CA-C-O 115.269 -2.962 . . . . 27.300000000000001 111.039 -178.414 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -137.08 -36.87 0.66 Allowed 'General case' 0 C--O 1.268 2.061 0 N-CA-C 116.688 2.107 . . . . 28.620000000000001 116.688 -179.915 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 14' ' ' THR . . . . . 0.426 ' O ' ' HA ' ' A' ' 67' ' ' SER . 24.0 m -88.17 98.37 11.52 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 118.047 -0.978 . . . . 28.719999999999999 111.366 179.281 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -106.33 136.28 19.38 Favored Pre-proline 0 C--N 1.3 -1.583 0 C-N-CA 125.25 1.42 . . . . 25.84 111.702 -179.539 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -64.23 140.39 70.76 Favored 'Trans proline' 0 N--CA 1.482 0.801 0 O-C-N 125.051 2.079 . . . . 26.059999999999999 109.303 178.524 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.4 mmmt -116.25 159.89 21.22 Favored 'General case' 0 C--O 1.262 1.75 0 O-C-N 127.583 3.052 . . . . 26.25 107.75 179.163 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.9 m -52.22 121.29 6.6 Favored 'General case' 0 C--O 1.249 1.064 0 O-C-N 120.466 -1.396 . . . . 25.710000000000001 112.74 -177.382 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.37 -17.52 56.7 Favored Glycine 0 CA--C 1.498 -0.988 0 N-CA-C 110.044 -1.222 . . . . 21.350000000000001 110.044 177.19 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -62.55 148.06 47.16 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 108.404 -0.962 . . . . 19.530000000000001 108.404 -178.682 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 31.2 tp -86.24 134.21 33.78 Favored 'General case' 0 C--O 1.271 2.21 0 O-C-N 126.61 2.444 . . . . 14.48 104.594 176.832 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 22' ' ' VAL . . . . . 0.527 ' O ' ' HA ' ' A' ' 47' ' ' GLN . 27.6 m -125.8 143.45 39.28 Favored 'Isoleucine or valine' 0 C--O 1.248 0.977 0 O-C-N 127.245 2.84 . . . . 12.890000000000001 107.888 179.393 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.4 m -106.88 112.56 25.58 Favored 'General case' 0 C--N 1.314 -0.967 0 O-C-N 128.747 3.779 . . . . 14.220000000000001 107.013 175.759 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 24' ' ' ILE . . . . . 0.503 HD12 ' HZ3' ' A' ' 59' ' ' TRP . 10.1 mt -130.24 152.45 37.46 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 O-C-N 120.464 -1.398 . . . . 18.199999999999999 114.111 -178.629 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -113.7 123.07 49.0 Favored 'General case' 0 C--O 1.205 -1.253 0 O-C-N 127.035 2.709 . . . . 13.02 104.118 174.91 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 26' ' ' TYR . . . . . 0.402 ' HA ' ' O ' ' A' ' 100' ' ' ASP . 40.0 p90 -128.05 163.74 23.92 Favored 'General case' 0 C--O 1.206 -1.221 0 O-C-N 125.432 1.707 . . . . 12.869999999999999 112.543 -179.596 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.3 m -138.7 125.56 21.06 Favored 'General case' 0 C--N 1.29 -1.99 0 C-N-CA 129.1 2.96 . . . . 14.289999999999999 103.52 172.767 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -112.31 135.45 12.74 Favored Glycine 0 C--N 1.303 -1.268 0 O-C-N 126.969 2.668 . . . . 19.59 107.878 179.887 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 29' ' ' THR . . . . . 0.7 HG22 ' O ' ' A' ' 30' ' ' LEU 0.487 2.1 m -133.95 153.33 51.84 Favored 'General case' 0 C--N 1.294 -1.814 0 C-N-CA 130.512 3.525 . . . . 21.800000000000001 111.189 178.751 . . . . . . . . 3 3 . 1 . 001 ecloud build full ' A' A ' 30' ' ' LEU . . . . . 0.7 ' O ' HG22 ' A' ' 29' ' ' THR . 78.8 mt -86.76 172.72 9.94 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 103.635 -2.728 . . . . 24.329999999999998 103.635 173.991 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 31' ' ' GLU . . . . . 0.524 ' HB2' ' O ' ' A' ' 231' ' ' HOH . 1.2 tt0 -54.39 -25.9 27.23 Favored 'General case' 0 C--N 1.293 -1.869 0 C-N-CA 124.429 1.092 . . . . 38.229999999999997 113.182 176.842 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 32' ' ' ASN . . . . . 0.623 ' OD1' ' HB3' ' A' ' 34' ' ' GLN . 32.7 p30 -81.03 -9.0 59.9 Favored 'General case' 0 C--O 1.262 1.712 0 CA-C-O 115.822 -2.037 . . . . 32.759999999999998 111.449 175.724 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.52 -10.79 59.52 Favored Glycine 0 N--CA 1.494 2.539 0 CA-C-N 122.66 2.482 . . . . 30.18 109.702 -179.971 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 34' ' ' GLN . . . . . 0.623 ' HB3' ' OD1' ' A' ' 32' ' ' ASN . 28.8 tt0 -70.41 111.02 5.66 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 122.571 1.177 . . . . 33.700000000000003 111.255 178.539 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.9 tttt -69.9 128.59 36.91 Favored 'General case' 0 C--N 1.295 -1.761 0 C-N-CA 127.548 2.339 . . . . 23.32 111.388 178.757 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -118.69 -13.37 9.61 Favored 'General case' 0 C--O 1.255 1.395 0 C-N-CA 123.123 0.569 . . . . 16.260000000000002 111.982 -178.73 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -170.19 155.67 5.49 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.095 -1.628 . . . . 15.890000000000001 110.821 179.183 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.4 t -161.75 139.52 8.93 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-O 115.138 -2.363 . . . . 15.77 108.89 178.709 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 80.8 p -97.56 -8.99 27.82 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-N 123.469 2.849 . . . . 14.66 109.218 179.959 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.8 t -70.36 -37.55 71.19 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.268 0 N-CA-C 104.686 -2.338 . . . . 19.030000000000001 104.686 -178.887 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -65.79 -28.73 69.23 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-N 113.618 -1.628 . . . . 21.649999999999999 110.853 175.793 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 85.1 mtm-85 -86.93 -15.41 38.99 Favored 'General case' 0 C--N 1.29 -1.979 0 C-N-CA 126.436 1.894 . . . . 19.07 108.056 179.469 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 67.13 24.09 73.21 Favored Glycine 0 N--CA 1.496 2.674 0 C-N-CA 118.742 -1.694 . . . . 17.940000000000001 110.363 -178.606 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.9 p -147.05 116.76 4.46 Favored Pre-proline 0 N--CA 1.484 1.241 0 C-N-CA 118.809 -1.157 . . . . 20.940000000000001 112.325 177.879 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -61.0 151.17 80.11 Favored 'Trans proline' 0 C--O 1.271 2.168 0 C-N-CA 122.228 1.952 . . . . 19.280000000000001 113.143 179.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -89.3 145.3 25.47 Favored 'General case' 0 C--O 1.264 1.821 0 C-N-CA 126.168 1.787 . . . . 15.800000000000001 109.793 178.885 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 47' ' ' GLN . . . . . 0.527 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 48.9 mt-30 -132.32 144.22 50.42 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-O 113.551 -3.119 . . . . 22.02 106.38 178.174 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.9 p -162.1 164.69 27.9 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 127.98 3.3 . . . . 16.390000000000001 104.743 178.095 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -94.1 132.48 38.58 Favored 'General case' 0 C--O 1.265 1.894 0 N-CA-C 100.326 -3.953 . . . . 14.19 100.326 174.176 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.4 tp -87.94 148.15 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 1 O-C-N 129.744 4.403 . . . . 13.23 113.098 -177.758 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.78 36.25 93.07 Favored Glycine 0 N--CA 1.408 -3.199 1 C-N-CA 131.935 4.588 . . . . 15.75 121.531 179.891 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.6 m -130.04 12.28 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.344 0 C-N-CA 129.585 3.154 . . . . 15.470000000000001 113.295 -178.906 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 82.65 20.86 60.88 Favored Glycine 0 CA--C 1.474 -2.488 0 N-CA-C 117.986 1.954 . . . . 14.6 117.986 -179.198 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -79.88 -30.93 40.29 Favored 'General case' 0 C--O 1.249 1.064 0 CA-C-N 120.369 2.085 . . . . 14.9 110.119 176.531 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.1 m -124.98 169.65 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 CA-C-N 120.102 1.319 . . . . 14.619999999999999 110.125 -178.792 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 43.9 pt -57.03 151.54 2.99 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 N-CA-C 105.135 -2.172 . . . . 12.869999999999999 105.135 -179.389 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -56.14 -39.82 72.84 Favored 'General case' 0 C--N 1.289 -2.039 0 C-N-CA 126.321 1.848 . . . . 11.51 114.596 -175.798 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -55.35 -33.96 58.92 Favored Glycine 0 N--CA 1.483 1.778 0 O-C-N 124.705 1.253 . . . . 12.15 110.645 178.566 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 59' ' ' TRP . . . . . 0.503 ' HZ3' HD12 ' A' ' 24' ' ' ILE . 3.6 m95 -72.33 -44.69 62.28 Favored 'General case' 0 N--CA 1.44 -0.946 0 O-C-N 119.427 -2.22 . . . . 12.17 106.789 177.974 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -61.19 -40.36 93.63 Favored 'General case' 0 C--O 1.274 2.345 0 O-C-N 125.946 2.029 . . . . 16.010000000000002 113.116 -179.376 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.2 m -83.19 -31.92 9.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 N-CA-C 113.649 0.981 . . . . 13.26 113.649 178.608 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.53 -58.2 5.1 Favored Glycine 0 N--CA 1.409 -3.119 0 C-N-CA 128.388 2.899 . . . . 12.949999999999999 119.869 -176.736 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 63' ' ' ILE . . . . . 0.505 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 34.1 mm -57.31 -41.58 91.63 Favored Pre-proline 0 C--N 1.306 -1.322 0 N-CA-C 117.303 2.335 . . . . 13.58 117.303 -177.201 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 64' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 27.3 Cg_exo -59.56 -15.39 30.53 Favored 'Trans proline' 0 C--O 1.272 2.218 0 C-N-CA 121.964 1.776 . . . . 18.370000000000001 109.792 -178.788 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 65' ' ' LYS . . . . . 0.405 ' NZ ' ' OE1' ' A' ' -1' ' ' GLU . 44.5 mttp -91.03 10.72 25.54 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 119.866 1.212 . . . . 21.75 114.232 179.326 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 53.6 mt -113.44 146.21 39.91 Favored 'General case' 0 C--O 1.254 1.315 0 C-N-CA 125.16 1.384 . . . . 17.129999999999999 110.85 -178.822 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 67' ' ' SER . . . . . 0.426 ' HA ' ' O ' ' A' ' 14' ' ' THR . 19.7 p -104.52 161.04 14.45 Favored 'General case' 0 C--O 1.265 1.872 0 N-CA-C 107.346 -1.353 . . . . 15.52 107.346 175.356 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 68' ' ' VAL . . . . . 0.744 ' CG2' HG23 ' A' ' 106' ' ' VAL . 5.5 t -51.77 132.8 13.45 Favored 'Isoleucine or valine' 0 C--O 1.255 1.379 0 CA-C-N 114.041 -1.436 . . . . 15.51 109.579 -179.388 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.42 -14.3 59.92 Favored Glycine 0 CA--C 1.491 -1.46 0 O-C-N 126.184 2.178 . . . . 15.19 115.413 -179.299 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 60.8 tt0 -69.08 153.01 44.48 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 117.978 -3.072 . . . . 17.850000000000001 113.809 -177.975 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -122.84 128.49 50.46 Favored 'General case' 0 C--O 1.263 1.812 0 N-CA-C 104.388 -2.449 . . . . 28.02 104.388 174.838 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -149.3 167.47 25.98 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 118.602 -2.561 . . . . 17.969999999999999 109.729 -178.625 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 73' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 204' ' ' HOH . 10.6 ttm180 -118.81 124.58 47.56 Favored 'General case' 0 C--N 1.289 -2.047 0 CA-C-N 119.771 1.169 . . . . 32.979999999999997 110.954 177.559 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.0 mt -100.16 115.9 30.91 Favored 'General case' 0 C--O 1.257 1.49 0 CA-C-O 112.489 -3.624 . . . . 13.42 109.753 -178.193 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 57.9 m -99.6 119.15 37.61 Favored 'General case' 0 C--N 1.284 -2.261 0 N-CA-C 103.56 -2.756 . . . . 12.890000000000001 103.56 174.313 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 37.0 mt -115.46 119.95 37.16 Favored Pre-proline 0 C--N 1.301 -1.518 0 C-N-CA 127.643 2.377 . . . . 14.32 115.954 -177.588 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -72.04 151.77 56.25 Favored 'Trans proline' 0 C--O 1.256 1.396 0 C-N-CA 121.885 1.723 . . . . 12.59 113.147 174.803 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -35.68 -58.99 0.89 Allowed Glycine 0 C--O 1.285 3.295 0 C-N-CA 127.446 2.45 . . . . 17.109999999999999 116.515 178.106 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_exo -51.15 -27.72 23.24 Favored 'Trans proline' 0 C--O 1.253 1.269 0 CA-C-N 121.887 2.844 . . . . 16.5 112.911 178.225 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -98.12 8.01 45.42 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 118.625 -2.547 . . . . 14.619999999999999 114.093 -179.881 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -128.36 -118.74 0.25 Allowed 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 131.344 3.858 . . . . 14.710000000000001 111.292 -177.85 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -102.16 3.25 38.26 Favored 'General case' 0 N--CA 1.495 1.78 0 CA-C-N 119.636 1.107 . . . . 17.109999999999999 112.389 -176.71 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 83' ' ' GLY . . . . . 0.406 ' HA3' ' HD2' ' A' ' 84' ' ' PRO . . . 47.73 -147.95 3.88 Favored Glycine 0 CA--C 1.538 1.517 0 CA-C-O 122.688 1.16 . . . . 21.109999999999999 114.481 179.519 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 84' ' ' PRO . . . . . 0.473 ' O ' ' HB3' ' A' ' 93' ' ' PRO . 71.7 Cg_endo -67.15 -15.24 45.86 Favored 'Trans proline' 0 C--O 1.265 1.837 0 C-N-CA 124.374 3.383 . . . . 21.600000000000001 116.382 -176.249 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -87.67 -49.58 7.06 Favored 'General case' 0 C--O 1.255 1.35 0 CA-C-O 118.303 -0.856 . . . . 31.32 112.046 179.802 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.87 -158.18 33.11 Favored Glycine 0 C--O 1.272 2.501 0 N-CA-C 106.533 -2.627 . . . . 17.629999999999999 106.533 178.918 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -143.54 127.7 9.37 Favored Pre-proline 0 N--CA 1.493 1.698 0 O-C-N 126.426 1.897 . . . . 16.149999999999999 106.558 -178.629 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -53.02 118.86 5.24 Favored 'Trans proline' 0 C--N 1.318 -1.073 0 C-N-CA 122.929 2.419 . . . . 16.84 113.476 -174.387 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 72.13 8.94 70.95 Favored Glycine 0 CA--C 1.492 -1.387 0 CA-C-O 118.241 -1.31 . . . . 19.149999999999999 115.016 178.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.2 mt -127.22 -46.76 1.49 Allowed 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 121.299 2.55 . . . . 17.649999999999999 112.323 -179.317 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . 0.317 37.0 mt -135.48 119.18 12.94 Favored Pre-proline 0 C--O 1.261 1.679 0 CA-C-N 112.816 -1.993 . . . . 17.309999999999999 115.899 -175.313 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -73.66 162.36 39.87 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 124.381 3.388 . . . . 17.469999999999999 113.895 178.978 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 93' ' ' PRO . . . . . 0.473 ' HB3' ' O ' ' A' ' 84' ' ' PRO . 74.1 Cg_exo -51.06 140.69 39.62 Favored 'Trans proline' 0 C--N 1.318 -1.055 0 C-N-CA 123.413 2.742 . . . . 15.65 109.268 178.395 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 55.09 36.62 27.37 Favored 'General case' 0 C--O 1.255 1.368 0 N-CA-C 117.997 2.591 . . . . 18.879999999999999 117.997 179.621 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 74.1 m -90.55 148.49 22.67 Favored 'General case' 0 C--O 1.263 1.783 0 CA-C-N 123.841 3.019 . . . . 17.02 110.446 178.371 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 16.6 m -92.2 129.24 38.2 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 102.998 -2.964 . . . . 14.48 102.998 170.799 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 18.2 mt -106.93 142.61 36.28 Favored 'General case' 0 C--N 1.284 -2.268 0 O-C-N 125.807 1.942 . . . . 11.890000000000001 110.502 -176.991 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 53.7 t -113.9 126.43 71.38 Favored 'Isoleucine or valine' 0 C--O 1.255 1.353 0 N-CA-C 106.971 -1.492 . . . . 16.32 106.971 176.098 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -122.58 123.11 40.45 Favored 'General case' 0 C--N 1.279 -2.459 0 CA-C-O 121.674 0.75 . . . . 15.390000000000001 109.359 -179.434 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 100' ' ' ASP . . . . . 0.402 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 39.4 m-20 -93.22 115.25 27.87 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-O 112.592 -3.575 . . . . 23.359999999999999 101.367 173.371 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 3.8 m -127.99 154.72 38.93 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.569 0 CA-C-N 125.344 3.702 . . . . 13.32 110.175 -176.437 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -132.78 121.53 23.14 Favored 'General case' 0 C--N 1.282 -2.368 0 N-CA-C 107.414 -1.328 . . . . 19.43 107.414 177.713 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 103' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 103' ' ' LEU . 47.9 tp -83.72 104.66 14.01 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 106.662 -1.607 . . . . 16.390000000000001 106.662 -179.639 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 95.6 mt -81.14 -51.43 8.46 Favored 'General case' 0 C--N 1.286 -2.183 0 C-N-CA 127.995 2.518 . . . . 18.289999999999999 108.953 -177.366 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.4 pttt -157.11 146.96 20.67 Favored 'General case' 0 N--CA 1.495 1.813 0 C-N-CA 115.395 -2.522 . . . . 21.690000000000001 114.038 179.412 . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 106' ' ' VAL . . . . . 0.744 HG23 ' CG2' ' A' ' 68' ' ' VAL . 88.1 t -106.34 147.35 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 105.487 -2.042 . . . . 26.75 105.487 -179.242 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . 0.367 0.1 OUTLIER . . . . . 0 N--CA 1.53 3.569 0 C-N-CA 115.748 -2.381 . . . . 34.329999999999998 112.588 -179.694 . . . . . . . . 2 2 . 1 . 001 ecloud build full ' A' A ' 108' ' ' FK5 . . . . . 0.944 H443 H362 ' A' ' 108' ' ' FK5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 204' ' ' HOH . . . . . 0.451 ' O ' ' HG2' ' A' ' 73' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 208' ' ' HOH . . . . . 0.594 ' O ' ' HB3' ' A' ' 6' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 231' ' ' HOH . . . . . 0.524 ' O ' ' HB2' ' A' ' 31' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 236' ' ' HOH . . . . . 0.453 ' O ' ' CB ' ' A' ' -5' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud build full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud build full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' -5' ' ' SER . . . . . 0.921 ' HB3' ' OD1' ' A' ' 5' ' ' ASP . 14.1 p . . . . . 0 C--O 1.254 1.302 0 CA-C-O 123.65 1.69 . . . . 30.69 113.407 . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -4' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -88.27 140.78 29.13 Favored 'General case' 0 C--O 1.252 1.21 0 CA-C-N 111.556 -2.565 . . . . 31.98 112.755 177.056 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -3' ' ' VAL . . . . . . . . . . . . . 24.0 t -109.64 103.81 16.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 N-CA-C 105.22 -2.141 . . . . 23.17 105.22 -178.67 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' -2' ' ' ILE . . . . . . . . . . . . 0.297 8.3 pt -93.12 -163.53 0.1 Allowed 'Isoleucine or valine' 0 C--O 1.263 1.774 0 CA-C-N 113.219 -1.81 . . . . 20.15 111.034 -178.658 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' -1' ' ' GLU . . . . . 0.405 ' OE1' ' NZ ' ' A' ' 65' ' ' LYS . 28.8 mp0 -53.1 151.9 4.59 Favored 'General case' 0 N--CA 1.503 2.21 0 C-N-CA 116.582 -2.047 . . . . 19.94 109.392 -177.84 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 0' ' ' GLY . . . . . 0.879 ' O ' ' HB2' ' A' ' 1' ' ' ASN . . . 57.81 11.33 7.96 Favored Glycine 0 C--N 1.303 -1.286 0 CA-C-O 116.242 -2.421 . . . . 17.35 114.052 178.766 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 1' ' ' ASN . . . . . 0.879 ' HB2' ' O ' ' A' ' 0' ' ' GLY . 31.2 m-20 78.93 18.18 0.89 Allowed 'General case' 0 CA--C 1.549 0.912 0 CA-C-O 114.689 -2.577 . . . . 22.03 109.869 -178.711 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 2.6 t -74.27 141.59 15.9 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.299 0 N-CA-C 102.415 -3.18 . . . . 17.1 102.415 176.529 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 53.5 mttt -108.16 137.99 45.19 Favored 'General case' 0 N--CA 1.446 -0.661 0 O-C-N 125.329 1.643 . . . . 22.33 114.364 178.726 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 57.0 mt -114.91 129.82 70.42 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 N-CA-C 107.49 -1.3 . . . . 22.94 107.49 176.507 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 5' ' ' ASP . . . . . 0.921 ' OD1' ' HB3' ' A' ' -5' ' ' SER . 28.0 m-20 -118.49 108.32 14.86 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 127.695 3.122 . . . . 29.11 104.734 175.912 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.594 ' HB3' ' O ' ' A' ' 208' ' ' HOH . 21.4 mmt180 -74.54 128.16 34.88 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 126.3 2.25 . . . . 26.72 109.098 -177.881 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 96.7 mt -109.16 -44.2 6.22 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.46 0 CA-C-O 117.241 -1.361 . . . . 25.97 112.945 -178.737 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 8' ' ' SER . . . . . 0.401 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 0.0 OUTLIER -150.93 129.27 6.0 Favored Pre-proline 0 C--N 1.308 -1.2 0 N-CA-C 107.204 -1.406 . . . . 26.97 107.204 -179.202 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 8' ' ' SER . 59.6 Cg_endo -63.37 159.23 40.9 Favored 'Trans proline' 0 N--CA 1.454 -0.85 0 C-N-CA 124.176 3.251 . . . . 25.39 118.946 -175.82 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -106.29 -161.85 22.58 Favored Glycine 0 CA--C 1.539 1.56 0 N-CA-C 103.659 -3.776 . . . . 25.31 103.659 177.339 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 42.5 p-10 -78.7 4.12 14.6 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 125.457 1.328 . . . . 28.94 107.705 -178.462 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 52.44 18.37 5.11 Favored Glycine 0 C--O 1.252 1.222 0 CA-C-O 115.269 -2.962 . . . . 27.3 111.039 -178.414 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -137.08 -36.87 0.66 Allowed 'General case' 0 C--O 1.268 2.061 0 N-CA-C 116.688 2.107 . . . . 28.62 116.688 -179.915 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 14' ' ' THR . . . . . 0.426 ' O ' ' HA ' ' A' ' 67' ' ' SER . 24.0 m -88.17 98.37 11.52 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-O 118.047 -0.978 . . . . 28.72 111.366 179.281 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -106.33 136.28 19.38 Favored Pre-proline 0 C--N 1.3 -1.583 0 C-N-CA 125.25 1.42 . . . . 25.84 111.702 -179.539 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 16' ' ' PRO . . . . . . . . . . . . . 14.9 Cg_exo -64.23 140.39 70.76 Favored 'Trans proline' 0 N--CA 1.482 0.801 0 O-C-N 125.051 2.079 . . . . 26.06 109.303 178.524 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.4 mmmt -116.25 159.89 21.22 Favored 'General case' 0 C--O 1.262 1.75 0 O-C-N 127.583 3.052 . . . . 26.25 107.75 179.163 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.9 m -52.22 121.29 6.6 Favored 'General case' 0 C--O 1.249 1.064 0 O-C-N 120.466 -1.396 . . . . 25.71 112.74 -177.382 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 100.37 -17.52 56.7 Favored Glycine 0 CA--C 1.498 -0.988 0 N-CA-C 110.044 -1.222 . . . . 21.35 110.044 177.19 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 20' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -62.55 148.06 47.16 Favored 'General case' 0 N--CA 1.498 1.945 0 N-CA-C 108.404 -0.962 . . . . 19.53 108.404 -178.682 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 31.2 tp -86.24 134.21 33.78 Favored 'General case' 0 C--O 1.271 2.21 0 O-C-N 126.61 2.444 . . . . 14.48 104.594 176.832 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.527 ' O ' ' HA ' ' A' ' 47' ' ' GLN . 27.6 m -125.8 143.45 39.28 Favored 'Isoleucine or valine' 0 C--O 1.248 0.977 0 O-C-N 127.245 2.84 . . . . 12.89 107.888 179.393 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.4 m -106.88 112.56 25.58 Favored 'General case' 0 C--N 1.314 -0.967 0 O-C-N 128.747 3.779 . . . . 14.22 107.013 175.759 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.503 HD12 ' HZ3' ' A' ' 59' ' ' TRP . 10.1 mt -130.24 152.45 37.46 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 O-C-N 120.464 -1.398 . . . . 18.2 114.111 -178.629 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -113.7 123.07 49.0 Favored 'General case' 0 C--O 1.205 -1.253 0 O-C-N 127.035 2.709 . . . . 13.02 104.118 174.91 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.402 ' HA ' ' O ' ' A' ' 100' ' ' ASP . 40.0 p90 -128.05 163.74 23.92 Favored 'General case' 0 C--O 1.206 -1.221 0 O-C-N 125.432 1.707 . . . . 12.87 112.543 -179.596 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 27' ' ' THR . . . . . . . . . . . . . 22.3 m -138.7 125.56 21.06 Favored 'General case' 0 C--N 1.29 -1.99 0 C-N-CA 129.1 2.96 . . . . 14.29 103.52 172.767 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -112.31 135.45 12.74 Favored Glycine 0 C--N 1.303 -1.268 0 O-C-N 126.969 2.668 . . . . 19.59 107.878 179.887 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 29' ' ' THR . . . . . 0.7 HG22 ' O ' ' A' ' 30' ' ' LEU 0.487 2.1 m -133.95 153.33 51.84 Favored 'General case' 0 C--N 1.294 -1.814 0 C-N-CA 130.512 3.525 . . . . 21.8 111.189 178.751 . . . . . . . . 3 3 . 1 . 001 ecloud nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.7 ' O ' HG22 ' A' ' 29' ' ' THR . 78.8 mt -86.76 172.72 9.94 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 103.635 -2.728 . . . . 24.33 103.635 173.991 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.524 ' HB2' ' O ' ' A' ' 231' ' ' HOH . 1.2 tt0 -54.39 -25.9 27.23 Favored 'General case' 0 C--N 1.293 -1.869 0 C-N-CA 124.429 1.092 . . . . 38.23 113.182 176.842 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.623 ' OD1' ' HB3' ' A' ' 34' ' ' GLN . 32.7 p30 -81.03 -9.0 59.9 Favored 'General case' 0 C--O 1.262 1.712 0 CA-C-O 115.822 -2.037 . . . . 32.76 111.449 175.724 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 100.52 -10.79 59.52 Favored Glycine 0 N--CA 1.494 2.539 0 CA-C-N 122.66 2.482 . . . . 30.18 109.702 -179.971 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 34' ' ' GLN . . . . . 0.623 ' HB3' ' OD1' ' A' ' 32' ' ' ASN . 28.8 tt0 -70.41 111.02 5.66 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 122.571 1.177 . . . . 33.7 111.255 178.539 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 48.9 tttt -69.9 128.59 36.91 Favored 'General case' 0 C--N 1.295 -1.761 0 C-N-CA 127.548 2.339 . . . . 23.32 111.388 178.757 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 23.8 p90 -118.69 -13.37 9.61 Favored 'General case' 0 C--O 1.255 1.395 0 C-N-CA 123.123 0.569 . . . . 16.26 111.982 -178.73 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -170.19 155.67 5.49 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 120.095 -1.628 . . . . 15.89 110.821 179.183 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 27.4 t -161.75 139.52 8.93 Favored 'General case' 0 C--N 1.3 -1.56 0 CA-C-O 115.138 -2.363 . . . . 15.77 108.89 178.709 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 80.8 p -97.56 -8.99 27.82 Favored 'General case' 0 N--CA 1.496 1.826 0 CA-C-N 123.469 2.849 . . . . 14.66 109.218 179.959 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 2.8 t -70.36 -37.55 71.19 Favored 'Isoleucine or valine' 0 C--O 1.205 -1.268 0 N-CA-C 104.686 -2.338 . . . . 19.03 104.686 -178.887 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 83.8 m-20 -65.79 -28.73 69.23 Favored 'General case' 0 C--O 1.215 -0.713 0 CA-C-N 113.618 -1.628 . . . . 21.65 110.853 175.793 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 85.1 mtm-85 -86.93 -15.41 38.99 Favored 'General case' 0 C--N 1.29 -1.979 0 C-N-CA 126.436 1.894 . . . . 19.07 108.056 179.469 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 67.13 24.09 73.21 Favored Glycine 0 N--CA 1.496 2.674 0 C-N-CA 118.742 -1.694 . . . . 17.94 110.363 -178.606 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.9 p -147.05 116.76 4.46 Favored Pre-proline 0 N--CA 1.484 1.241 0 C-N-CA 118.809 -1.157 . . . . 20.94 112.325 177.879 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -61.0 151.17 80.11 Favored 'Trans proline' 0 C--O 1.271 2.168 0 C-N-CA 122.228 1.952 . . . . 19.28 113.143 179.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 46' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -89.3 145.3 25.47 Favored 'General case' 0 C--O 1.264 1.821 0 C-N-CA 126.168 1.787 . . . . 15.8 109.793 178.885 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.527 ' HA ' ' O ' ' A' ' 22' ' ' VAL . 16.3 mt-30 -132.32 144.22 50.42 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-O 113.551 -3.119 . . . . 22.02 106.38 178.174 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 27.9 p -162.1 164.69 27.9 Favored 'General case' 0 C--N 1.304 -1.384 0 O-C-N 127.98 3.3 . . . . 16.39 104.743 178.095 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.501 ' H ' ' NE2' ' A' ' 54' ' ' GLN . 7.7 m120 -94.1 132.48 38.58 Favored 'General case' 0 C--O 1.265 1.894 0 N-CA-C 100.326 -3.953 . . . . 14.19 100.326 174.176 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 50' ' ' ILE . . . . . . . . . . . . . 5.4 tp -87.94 148.15 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 1 O-C-N 129.744 4.403 . . . . 13.23 113.098 -177.758 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.78 36.25 93.07 Favored Glycine 0 N--CA 1.408 -3.199 1 C-N-CA 131.935 4.588 . . . . 15.75 121.531 179.891 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.6 m -130.04 12.28 2.31 Favored 'Isoleucine or valine' 0 N--CA 1.432 -1.344 0 C-N-CA 129.585 3.154 . . . . 15.47 113.295 -178.906 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 53' ' ' GLY . . . . . . . . . . . . . . . 82.65 20.86 60.88 Favored Glycine 0 CA--C 1.474 -2.488 0 N-CA-C 117.986 1.954 . . . . 14.6 117.986 -179.198 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.501 ' NE2' ' H ' ' A' ' 49' ' ' ASN . 27.5 mt-30 -79.88 -30.93 40.29 Favored 'General case' 0 C--O 1.249 1.064 0 CA-C-N 120.369 2.085 . . . . 14.9 110.119 176.531 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 35.1 m -124.98 169.65 16.07 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.58 0 CA-C-N 120.102 1.319 . . . . 14.62 110.125 -178.792 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 43.9 pt -57.03 151.54 2.99 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 N-CA-C 105.135 -2.172 . . . . 12.87 105.135 -179.389 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 92.3 mttt -56.14 -39.82 72.84 Favored 'General case' 0 C--N 1.289 -2.039 0 C-N-CA 126.321 1.848 . . . . 11.51 114.596 -175.798 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -55.35 -33.96 58.92 Favored Glycine 0 N--CA 1.483 1.778 0 O-C-N 124.705 1.253 . . . . 12.15 110.645 178.566 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 59' ' ' TRP . . . . . 0.503 ' HZ3' HD12 ' A' ' 24' ' ' ILE . 3.6 m95 -72.33 -44.69 62.28 Favored 'General case' 0 N--CA 1.44 -0.946 0 O-C-N 119.427 -2.22 . . . . 12.17 106.789 177.974 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -61.19 -40.36 93.63 Favored 'General case' 0 C--O 1.274 2.345 0 O-C-N 125.946 2.029 . . . . 16.01 113.116 -179.376 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 27.2 m -83.19 -31.92 9.06 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 N-CA-C 113.649 0.981 . . . . 13.26 113.649 178.608 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.53 -58.2 5.1 Favored Glycine 0 N--CA 1.409 -3.119 0 C-N-CA 128.388 2.899 . . . . 12.95 119.869 -176.736 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.505 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 34.1 mm -57.31 -41.58 91.63 Favored Pre-proline 0 C--N 1.306 -1.322 0 N-CA-C 117.303 2.335 . . . . 13.58 117.303 -177.201 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 27.3 Cg_exo -59.56 -15.39 30.53 Favored 'Trans proline' 0 C--O 1.272 2.218 0 C-N-CA 121.964 1.776 . . . . 18.37 109.792 -178.788 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.405 ' NZ ' ' OE1' ' A' ' -1' ' ' GLU . 44.5 mttp -91.03 10.72 25.54 Favored 'General case' 0 C--N 1.305 -1.354 0 CA-C-N 119.866 1.212 . . . . 21.75 114.232 179.326 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 53.6 mt -113.44 146.21 39.91 Favored 'General case' 0 C--O 1.254 1.315 0 C-N-CA 125.16 1.384 . . . . 17.13 110.85 -178.822 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 67' ' ' SER . . . . . 0.426 ' HA ' ' O ' ' A' ' 14' ' ' THR . 19.7 p -104.52 161.04 14.45 Favored 'General case' 0 C--O 1.265 1.872 0 N-CA-C 107.346 -1.353 . . . . 15.52 107.346 175.356 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.744 ' CG2' HG23 ' A' ' 106' ' ' VAL . 5.5 t -51.77 132.8 13.45 Favored 'Isoleucine or valine' 0 C--O 1.255 1.379 0 CA-C-N 114.041 -1.436 . . . . 15.51 109.579 -179.388 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 88.42 -14.3 59.92 Favored Glycine 0 CA--C 1.491 -1.46 0 O-C-N 126.184 2.178 . . . . 15.19 115.413 -179.299 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 60.8 tt0 -69.08 153.01 44.48 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 117.978 -3.072 . . . . 17.85 113.809 -177.975 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -122.84 128.49 50.46 Favored 'General case' 0 C--O 1.263 1.812 0 N-CA-C 104.388 -2.449 . . . . 28.02 104.388 174.838 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -149.3 167.47 25.98 Favored 'General case' 0 C--N 1.322 -0.6 0 O-C-N 118.602 -2.561 . . . . 17.97 109.729 -178.625 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 204' ' ' HOH . 10.6 ttm180 -118.81 124.58 47.56 Favored 'General case' 0 C--N 1.289 -2.047 0 CA-C-N 119.771 1.169 . . . . 32.98 110.954 177.559 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 18.0 mt -100.16 115.9 30.91 Favored 'General case' 0 C--O 1.257 1.49 0 CA-C-O 112.489 -3.624 . . . . 13.42 109.753 -178.193 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 75' ' ' THR . . . . . . . . . . . . . 57.9 m -99.6 119.15 37.61 Favored 'General case' 0 C--N 1.284 -2.261 0 N-CA-C 103.56 -2.756 . . . . 12.89 103.56 174.313 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 37.0 mt -115.46 119.95 37.16 Favored Pre-proline 0 C--N 1.301 -1.518 0 C-N-CA 127.643 2.377 . . . . 14.32 115.954 -177.588 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 1.6 Cg_endo -72.04 151.77 56.25 Favored 'Trans proline' 0 C--O 1.256 1.396 0 C-N-CA 121.885 1.723 . . . . 12.59 113.147 174.803 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -35.68 -58.99 0.89 Allowed Glycine 0 C--O 1.285 3.295 0 C-N-CA 127.446 2.45 . . . . 17.11 116.515 178.106 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 79' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_exo -51.15 -27.72 23.24 Favored 'Trans proline' 0 C--O 1.253 1.269 0 CA-C-N 121.887 2.844 . . . . 16.5 112.911 178.225 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -98.12 8.01 45.42 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 118.625 -2.547 . . . . 14.62 114.093 -179.881 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -128.36 -118.74 0.25 Allowed 'General case' 0 C--N 1.294 -1.818 0 C-N-CA 131.344 3.858 . . . . 14.71 111.292 -177.85 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 82' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -102.16 3.25 38.26 Favored 'General case' 0 N--CA 1.495 1.78 0 CA-C-N 119.636 1.107 . . . . 17.11 112.389 -176.71 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.406 ' HA3' ' HD2' ' A' ' 84' ' ' PRO . . . 47.73 -147.95 3.88 Favored Glycine 0 CA--C 1.538 1.517 0 CA-C-O 122.688 1.16 . . . . 21.11 114.481 179.519 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 84' ' ' PRO . . . . . 0.473 ' O ' ' HB3' ' A' ' 93' ' ' PRO . 71.7 Cg_endo -67.15 -15.24 45.86 Favored 'Trans proline' 0 C--O 1.265 1.837 0 C-N-CA 124.374 3.383 . . . . 21.6 116.382 -176.249 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.9 ttm180 -87.67 -49.58 7.06 Favored 'General case' 0 C--O 1.255 1.35 0 CA-C-O 118.303 -0.856 . . . . 31.32 112.046 179.802 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 84.87 -158.18 33.11 Favored Glycine 0 C--O 1.272 2.501 0 N-CA-C 106.533 -2.627 . . . . 17.63 106.533 178.918 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -143.54 127.7 9.37 Favored Pre-proline 0 N--CA 1.493 1.698 0 O-C-N 126.426 1.897 . . . . 16.15 106.558 -178.629 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 30.9 Cg_endo -53.02 118.86 5.24 Favored 'Trans proline' 0 C--N 1.318 -1.073 0 C-N-CA 122.929 2.419 . . . . 16.84 113.476 -174.387 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 72.13 8.94 70.95 Favored Glycine 0 CA--C 1.492 -1.387 0 CA-C-O 118.241 -1.31 . . . . 19.15 115.016 178.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 20.2 mt -127.22 -46.76 1.49 Allowed 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 121.299 2.55 . . . . 17.65 112.323 -179.317 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . 0.317 37.0 mt -135.48 119.18 12.94 Favored Pre-proline 0 C--O 1.261 1.679 0 CA-C-N 112.816 -1.993 . . . . 17.31 115.899 -175.313 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 92' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -73.66 162.36 39.87 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 C-N-CA 124.381 3.388 . . . . 17.47 113.895 178.978 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.473 ' HB3' ' O ' ' A' ' 84' ' ' PRO . 74.1 Cg_exo -51.06 140.69 39.62 Favored 'Trans proline' 0 C--N 1.318 -1.055 0 C-N-CA 123.413 2.742 . . . . 15.65 109.268 178.395 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 94' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 55.09 36.62 27.37 Favored 'General case' 0 C--O 1.255 1.368 0 N-CA-C 117.997 2.591 . . . . 18.88 117.997 179.621 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 74.1 m -90.55 148.49 22.67 Favored 'General case' 0 C--O 1.263 1.783 0 CA-C-N 123.841 3.019 . . . . 17.02 110.446 178.371 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 16.6 m -92.2 129.24 38.2 Favored 'General case' 0 C--N 1.31 -1.127 0 N-CA-C 102.998 -2.964 . . . . 14.48 102.998 170.799 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 97' ' ' LEU . . . . . . . . . . . . . 18.2 mt -106.93 142.61 36.28 Favored 'General case' 0 C--N 1.284 -2.268 0 O-C-N 125.807 1.942 . . . . 11.89 110.502 -176.991 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 98' ' ' VAL . . . . . . . . . . . . . 53.7 t -113.9 126.43 71.38 Favored 'Isoleucine or valine' 0 C--O 1.255 1.353 0 N-CA-C 106.971 -1.492 . . . . 16.32 106.971 176.098 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 40.3 m-85 -122.58 123.11 40.45 Favored 'General case' 0 C--N 1.279 -2.459 0 CA-C-O 121.674 0.75 . . . . 15.39 109.359 -179.434 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.402 ' O ' ' HA ' ' A' ' 26' ' ' TYR . 39.4 m-20 -93.22 115.25 27.87 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-O 112.592 -3.575 . . . . 23.36 101.367 173.371 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 101' ' ' VAL . . . . . . . . . . . . . 3.8 m -127.99 154.72 38.93 Favored 'Isoleucine or valine' 0 C--N 1.277 -2.569 0 CA-C-N 125.344 3.702 . . . . 13.32 110.175 -176.437 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 61.8 tt0 -132.78 121.53 23.14 Favored 'General case' 0 C--N 1.282 -2.368 0 N-CA-C 107.414 -1.328 . . . . 19.43 107.414 177.713 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.442 HD12 ' HA ' ' A' ' 103' ' ' LEU . 47.9 tp -83.72 104.66 14.01 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 106.662 -1.607 . . . . 16.39 106.662 -179.639 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 95.6 mt -81.14 -51.43 8.46 Favored 'General case' 0 C--N 1.286 -2.183 0 C-N-CA 127.995 2.518 . . . . 18.29 108.953 -177.366 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 105' ' ' LYS . . . . . . . . . . . . . 16.4 pttt -157.11 146.96 20.67 Favored 'General case' 0 N--CA 1.495 1.813 0 C-N-CA 115.395 -2.522 . . . . 21.69 114.038 179.412 . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.744 HG23 ' CG2' ' A' ' 68' ' ' VAL . 88.1 t -106.34 147.35 11.89 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.776 0 N-CA-C 105.487 -2.042 . . . . 26.75 105.487 -179.242 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 107' ' ' ASN . . . . . . . . . . . . 0.367 0.1 OUTLIER . . . . . 0 N--CA 1.53 3.569 0 C-N-CA 115.748 -2.381 . . . . 34.33 112.588 -179.694 . . . . . . . . 2 2 . 1 . 001 ecloud nobuild full ' A' A ' 108' ' ' FK5 . . . . . 0.944 H362 H443 ' A' ' 108' ' ' FK5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 201' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 202' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 203' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 204' ' ' HOH . . . . . 0.451 ' O ' ' HG2' ' A' ' 73' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 205' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 206' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 207' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 208' ' ' HOH . . . . . 0.594 ' O ' ' HB3' ' A' ' 6' ' ' ARG . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 209' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 210' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 211' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 212' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 213' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 214' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 215' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 216' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 217' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 218' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 219' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 220' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 221' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 222' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 224' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 225' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 226' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 227' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 228' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 229' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 230' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 231' ' ' HOH . . . . . 0.524 ' O ' ' HB2' ' A' ' 31' ' ' GLU . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 232' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 233' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 234' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 235' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 236' ' ' HOH . . . . . 0.453 ' O ' ' CB ' ' A' ' -5' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 ecloud nobuild full ' A' A ' 237' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 238' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 239' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 240' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 ecloud nobuild full ' A' A ' 241' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_